2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C25H25N3O3 — CID 8729554

IUPAC2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-12-14-20(15-13-18)26-23(29)16-28(2)17-24(30)27-22-11-7-6-10-21(22)25(31)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyOYVWQQYZSHSHLG-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.74
Rot. Bonds8

About 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8729554) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8729554
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-12-14-20(15-13-18)26-23(29)16-28(2)17-24(30)27-22-11-7-6-10-21(22)25(31)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyOYVWQQYZSHSHLG-UHFFFAOYSA-N
XLogP3.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880676
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
N-(2-benzoylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711533
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8729554) is 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is OYVWQQYZSHSHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-12-14-20(15-13-18)26-23(29)16-28(2)17-24(30)27-22-11-7-6-10-21(22)25(31)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8729554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).